I followed tutorial exactly same as mentioned on http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/umbrella/05_pull.html

for umbrella sampling but following command produced an error

grompp -f md_pull.mdp -c npt.gro -p topol.top -n index.ndx -t npt.cpt -o pull.tpr

as

Fatal error:

Group pull_group1 required by grompp was undefined.

Does anyone knno why this error occurred?

I am using gromacs 5.0.1 and the tutorial was prepared by using gromcas 4.0.5

More Mahender Singh's questions See All
Similar questions and discussions